Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 2/20 | 0.37 |
| ▸ | EGLN1 | Q9GZT9 | 4/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.34 |
| ▸ | PDE4A | P27815 | 2/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8937579 | 0.89 | HRH3 (0.42) | — | |
| SCHEMBL8934460 | 0.89 | ROCK1 (0.39) | MTNR1AMTNR1BROCK1HTR2AHTR2C | |
| SCHEMBL2335575 | 0.88 | MTNR1A (0.35) | MTNR1AMTNR1BROCK1HTR2AHTR2C | |
| SCHEMBL2337718 | 0.88 | MTNR1A (0.35) | MTNR1AMTNR1BROCK1HTR2AHTR2C | |
| SCHEMBL8937572 | 0.88 | OPRM1 (0.41) | — | |
| SCHEMBL8937273 | 0.86 | HRH1 (0.38) | MTNR1AMTNR1B | |
| SCHEMBL8938510 | 0.85 | ROCK1 (0.47) | EGLN1PDE4BPDE4DROCK1PDE4A | |
| SCHEMBL8937316 | 0.84 | DRD2 (0.40) | MTNR1AMTNR1BHTR2AHTR1A | |
| SCHEMBL8937451 | 0.84 | HRH3 (0.43) | — | |
| SCHEMBL8937447 | 0.83 | HRH1 (0.37) | MTNR1AMTNR1B |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8188117-B2 | Piperidinyl-substituted isoquinolone derivatives | SANOFI-AVENTIS (FR) | 2012-05-29 | — | — | US | disclosed |